5-[[4-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole

C17H23FN4S — CID 163350140

IUPAC5-[[4-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(CN2CCN(Cc3ccncc3F)C(C)C2)s1
InChIInChI=1S/C17H23FN4S/c1-12-9-21(11-17-13(2)20-14(3)23-17)6-7-22(12)10-15-4-5-19-8-16(15)18/h4-5,8,12H,6-7,9-11H2,1-3H3
InChIKeyUAHGFVOQJNVVEH-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.00
Rot. Bonds4

About 5-[[4-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole

5-[[4-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole (PubChem CID 163350140) has the molecular formula C17H23FN4S and a molecular weight of 334.46 g/mol. Its IUPAC name is 5-[[4-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[4-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
PubChem CID163350140
Molecular FormulaC17H23FN4S
Molecular Weight334.46 g/mol
Exact Mass334.16
IUPAC Name5-[[4-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(CN2CCN(Cc3ccncc3F)C(C)C2)s1
InChIInChI=1S/C17H23FN4S/c1-12-9-21(11-17-13(2)20-14(3)23-17)6-7-22(12)10-15-4-5-19-8-16(15)18/h4-5,8,12H,6-7,9-11H2,1-3H3
InChIKeyUAHGFVOQJNVVEH-UHFFFAOYSA-N
XLogP3.00
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-[[4-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole (CID 163350140) is 5-[[4-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-[[4-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-[[4-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole is Cc1nc(C)c(CN2CCN(Cc3ccncc3F)C(C)C2)s1.
What is the InChIKey of 5-[[4-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole?
The InChIKey is UAHGFVOQJNVVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4S/c1-12-9-21(11-17-13(2)20-14(3)23-17)6-7-22(12)10-15-4-5-19-8-16(15)18/h4-5,8,12H,6-7,9-11H2,1-3H3.
What are the key properties of 5-[[4-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole?
5-[[4-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole has a molecular weight of 334.46 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 163350140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).